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HIV-1 and SARS-CoV-2: Patterns in the evolution of two pandemic pathogens.
Fischer W, Giorgi EE, Chakraborty S, Nguyen K, Bhattacharya T, Theiler J, Goloboff PA, Yoon H, Abfalterer W, Foley BT, Tegally H, San JE, de Oliveira T; Network for Genomic Surveillance in South Africa (NGS-SA); Gnanakaran S, Korber B. Fischer W, et al. Among authors: nguyen k. Cell Host Microbe. 2021 Jul 14;29(7):1093-1110. doi: 10.1016/j.chom.2021.05.012. Epub 2021 Jun 3. Cell Host Microbe. 2021. PMID: 34242582 Free PMC article. Review.
The SARS-CoV-2 Spike Variant D614G Favors an Open Conformational State.
Mansbach RA, Chakraborty S, Nguyen K, Montefiori D, Korber B, Gnanakaran S. Mansbach RA, et al. Among authors: nguyen k. bioRxiv [Preprint]. 2020 Jul 26:2020.07.26.219741. doi: 10.1101/2020.07.26.219741. bioRxiv. 2020. PMID: 32743581 Free PMC article. Updated. Preprint.
The SARS-CoV-2 Spike variant D614G favors an open conformational state.
Mansbach RA, Chakraborty S, Nguyen K, Montefiori DC, Korber B, Gnanakaran S. Mansbach RA, et al. Among authors: nguyen k. Sci Adv. 2021 Apr 16;7(16):eabf3671. doi: 10.1126/sciadv.abf3671. Print 2021 Apr. Sci Adv. 2021. PMID: 33863729 Free PMC article.
Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework.
López CA, Zhang X, Aydin F, Shrestha R, Van QN, Stanley CB, Carpenter TS, Nguyen K, Patel LA, Chen D, Burns V, Hengartner NW, Reddy TJE, Bhatia H, Di Natale F, Tran TH, Chan AH, Simanshu DK, Nissley DV, Streitz FH, Stephen AG, Turbyville TJ, Lightstone FC, Gnanakaran S, Ingólfsson HI, Neale C. López CA, et al. Among authors: nguyen k. J Chem Theory Comput. 2022 Aug 9;18(8):5025-5045. doi: 10.1021/acs.jctc.2c00168. Epub 2022 Jul 22. J Chem Theory Comput. 2022. PMID: 35866871
Exploring CRD mobility during RAS/RAF engagement at the membrane.
Nguyen K, López CA, Neale C, Van QN, Carpenter TS, Di Natale F, Travers T, Tran TH, Chan AH, Bhatia H, Frank PH, Tonelli M, Zhang X, Gulten G, Reddy T, Burns V, Oppelstrup T, Hengartner N, Simanshu DK, Bremer PT, Chen D, Glosli JN, Shrestha R, Turbyville T, Streitz FH, Nissley DV, Ingólfsson HI, Stephen AG, Lightstone FC, Gnanakaran S. Nguyen K, et al. Biophys J. 2022 Oct 4;121(19):3630-3650. doi: 10.1016/j.bpj.2022.06.035. Epub 2022 Jul 1. Biophys J. 2022. PMID: 35778842 Free PMC article.
Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure.
Ingólfsson HI, Bhatia H, Aydin F, Oppelstrup T, López CA, Stanton LG, Carpenter TS, Wong S, Di Natale F, Zhang X, Moon JY, Stanley CB, Chavez JR, Nguyen K, Dharuman G, Burns V, Shrestha R, Goswami D, Gulten G, Van QN, Ramanathan A, Van Essen B, Hengartner NW, Stephen AG, Turbyville T, Bremer PT, Gnanakaran S, Glosli JN, Lightstone FC, Nissley DV, Streitz FH. Ingólfsson HI, et al. Among authors: nguyen k. J Chem Theory Comput. 2023 May 9;19(9):2658-2675. doi: 10.1021/acs.jctc.2c01018. Epub 2023 Apr 19. J Chem Theory Comput. 2023. PMID: 37075065 Free PMC article.
4,047 results